Information card for entry 7005127

Structure parameters

• Formula: C68 H98 Cl2 N6 O4 S2 V2
• Calculated formula: C68 H98 Cl2 N6 O4 S2 V2
• SMILES: C(#N)C.C(#N)C.O1[V]23([S](c4c([O]2[V]25([N]#CC)([O]3c3c([S]5c5c(O2)ccc(c5)C(CC(C)(C)C)(C)C)cc(cc3)C(CC(C)(C)C)(C)C)Cl)ccc(c4)C(CC(C)(C)C)(C)C)c2c1ccc(c2)C(CC(C)(C)C)(C)C)(Cl)[N]#CC.C(#N)C.C(#N)C
• Title of publication: Synthesis, structural studies and reactivity of vanadium complexes with tridentate (OSO) ligand.
• Authors of publication: Janas, Zofia; Wiśniewska, Dorota; Jerzykiewicz, Lucjan B.; Sobota, Piotr; Drabent, Krzysztof; Szczegot, Krzysztof
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 20
• Pages of publication: 2065 - 2069
• a: 8.48 ± 0.003 Å
• b: 14.312 ± 0.005 Å
• c: 15.312 ± 0.007 Å
• α: 93.17 ± 0.03°
• β: 93.88 ± 0.03°
• γ: 102.56 ± 0.03°
• Cell volume: 1805 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0846
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.1552
• Weighted residual factors for all reflections included in the refinement: 0.1723
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No